SCHEMBL7422985

SCHEMBL7422985

Cc1ccc(S(=O)(=O)NC(CNC(=O)c2cc3n(n2)CCCN(CCC2CCN(C(=O)OC(C)(C)C)CC2)C3=O)C(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.78
ITGA2B P08514 9/20 0.78
MMP13 P45452 4/20 0.49
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.43
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7422991 1.00 ITGB3 (0.78) ITGB3ITGA2BMMP13TP53LMNA
SCHEMBL609722 0.88 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6441257 0.82 ITGB3 (0.75) ITGB3ITGA2BTP53LMNA
SCHEMBL7415330 0.78 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL7425089 0.77 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL7422874 0.76 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7425099 0.75 ITGB3 (0.53) ITGB3ITGA2BTP53
SCHEMBL7425094 0.74 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL7415336 0.73 ITGB3 (0.53) ITGB3ITGA2BTP53
SCHEMBL8687291 0.73 ALDH1A1 (0.51) ITGB3ITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994018981-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-09-01 WO disclosed